Potential switching of optical properties in polymer electrolytes

The electric field dependence of the optical properties of a series of anion-conducting polymer electrolytes at an ITO–electrolyte interface was investigated. A change in reflectance and refractive index of polymer electrolytes [poly(ethyl methacrylate)]₁₈(Bu₃SnX)₃Bu₄NX where X = Cl, Br, and SCN was observed. This was ascribed to anion accumulation/depletion in the interfacial region. Shorter response times were observed for electrolytes with higher conductivities, illustrating the interrelationship between these two phenomena. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2057–2062, 1997     

偶氮苯衍生物自组装单分子膜中的分子取响

利用反射红外光谱研究了金表面一系列具有不同碳链长度的偶氮苯巯基衍生物的自组装单分子膜.通过对比各向同性样品的透射谱和单分子膜的反射谱中各个吸收峰强度,定量地研究了分子中各部分的取向与分子结构的关系.我们分别提出了烷基链和偶氮基团取向计算的方法,利用该方法成功地求得了分子中各部分在膜的倾角.结果显示,当分子中烷基链长度增大时,碳链和偶氮苯基团相对于法线的倾斜逐渐加剧.这种倾角的变化归因于分子中碳链间范德华引力增大时,引起分子逐渐倾斜以达到最佳的范德华接触.同时研究发现,烷基链和偶氮基团受碳长度变化的影响并不相同.当分子中亚甲基数目增多时,烷基链的倾角迅速增大而偶氮苯倾角的增大则相对缓慢,这反映了它们在空间需求和本身刚性上的不同。     

Infrared regular reflectance and transmittance instrumentation and standards at NIST

Instrumentation is described that has been constructed at the National Institute of Standards and Technology (NIST) for the measurement of regular reflectance and transmittance over the 2–25 μm wavelength region. This includes both specialized accessories used with Fourier-transform infrared (FT-IR) spectrometers and laser-based systems for high optical density transmittance measurements. The FT-IR systems have been used to develop standard reference materials for IR regular transmittance.     

Rare earth complexes with noncyclic polyether-methionine Schiff base

A novel Schiff base (TAMET) was synthesized by the condensation of tetraglycol aldehyde with methionine and a mild oxidant CrO3· (C5H5N)2 was selected for the reaction. Seven new rare earth complexes with this Schiff base have been synthesized and characterized by elemental analysis, TG-DTA, molar conductivity, magnetic susceptibility and IR, especially 1H NMR spectra. Information was obtained from reflectance spectra and the coordination of sulfur atom to rare earths was discussed. The experimental results show that thesecompounds have some biological activity and could dispose of O2.     

Optical potential discrete variable representation method in the adiabatic representation

The optical potential discrete variable representation method (OP-DVR) has been applied recently to calculate resonances in the framework of the diabatic representation [J. Chem. Phys. 101, 7580 (1994)]. This method is based on the conjoint use of the discrete variable representation (DVR) method and the properties of a complex absorbing potential (CAP). The OP-DVR method is the DVR version of the CAP stabilization method initially proposed by Jolicard and Austin [Chem. Phys. Lett. 121, 106 (1985)]. In the present study, we show that this efficient and accurate method can also be applied within the adiabatic representation since it allows one to overcome in a simple way, numerical difficulties associated with the first derivative operator which appears in the expression of non adiabatic couplings. Within the OP-DVR method, the choice of the representation (diabatic or adiabatic) is governed by physical arguments and by the fact that the potentials and the couplings are known in one or the other of these two representations. In the case where the potentials and the couplings are obtained in the adiabatic representation, we show in this paper that the transformation into the diabatic framework is not necessary. We demonstrate that the discrete variable representation can be a simple and an efficient way to deal with the adiabatic representation. Received: 30 April 1998 / Revised: 29 September 1998 /Accepted: 21 October 1998     

光子密度波在正常和异常生物组织中传输的模拟研究

本文研究光子密度波在模拟生物组织中传播的变化规律,探讨了在各种条件下光子密度波的特性和引起光子密度波畸变的因素,为实验研究提供了理论基础.     

玉米杂交种品质性状的近红外光谱分析技术研究

以我国常用玉米自交系、杂交种样品为材料,采用偏最小二乘(PLS)回归法,建立了近红外反射光谱测定玉米完整籽粒的粗蛋白、粗淀粉和油分含量的校正模型。并利用40个玉米杂交后代材料对3个模型的实际预测效果进行了验证,预测值与化学值间的相关系数(r)可达0.98(粗蛋白)、0.93(粗淀粉) 和0.97(油分), 最大相对误差仅为2.46%(粗淀粉)～7%(油分)。文章还从理论上研究了以数量相对较少的亲本自交系为建模样品、建立可适用于分析大量杂交种样品的近红外数学模型的可行性,提出了作物近红外光谱某些特征具有遗传性这一新的观点。     

Preparation and Spectral Analysis of Nickel-containing Aluminophosphate Molecular Sieves of Type-5

Diffuse reflectance spectroscopy was used to studynickel ion positions in the aluminophosphate molecularsieves of the AlPO-5 type. Nickel ions wereintroduced into the reactant mixture of thealuminophosphate and the synthesis carried outhydrothermally through various methods of gel, clearsolution and diluted suspension. The visibleabsorption spectra obtained of the dried, hydrated andcalcined materials were studied. A distinct andwell-defined triplet absorption band observed at about625, 580 and 540 nm was assigned to tetrahedralframework-substituted nickel(II) ions. A relativelystrong band at about 400 nm and two broad bands withsimilar intensity at 730 and 660 nm were assigned tooctahedral nickel species. These 730 and 660 nm bandsare observable only in the sample where nickel cationswere incorporated merely in the octahedralextra-framework sites by ion-exchange treatment ofSAPO-5. According to the synthesis procedure used,the amount of tetrahedral framework-substituted nickelions in comparison with octahedral ones can beevaluated from the intensities of the characteristicbands of the 4- and 6-coordinated nickel ions. Thereis much more octahedral nickel compared with thetetrahedral ones estimated in the light of theintensity data taking into account the absorptivitiesof nickel (II) symmetries. This work showed thatusing our synthesis procedure of a dilutedsuspension will result in preparing NiAPO-5 molecular sieve with more nickel cationsincorporated in the framework sites ofthe aluminophosphate. A very small quantity of thesecations remain in their sites at temperatures as highas 550°C.     

近红外法分析二醋酸纤维丝束中的外油

研究了应用近红外漫反射技术测定二醋酸纤维丝束中的外油的新方法。在 1 1 0 0～ 2 50 0 nm范围内 ,采用偏最小二乘法 (PL S) ,对一系列标准样品与其近红外光谱进行回归 ,建立了二醋酸纤维丝束外油分析的数学模型。采用此模型进行二醋酸纤维丝束外油分析 ,具有分析速度快、样品制备简单等优点 ,且分析结果与传统分析方法有很好的一致性。